7TBV
Crystal structure of the shikimate kinase + 3-dehydroquinate dehydratase + 3-dehydroshikimate dehydrogenase domains of Aro1 from Candida albicans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.682, 89.239, 270.708 |
| Unit cell angles | 90.00, 90.28, 90.00 |
Refinement procedure
| Resolution | 29.820 - 2.300 |
| R-factor | 0.1786 |
| Rwork | 0.178 |
| R-free | 0.22570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5swv |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.549 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.154 | 1.411 |
| Rpim | 0.063 | 0.595 |
| Number of reflections | 163233 | 8117 |
| <I/σ(I)> | 13.96 | 1.41 |
| Completeness [%] | 99.0 | 99.5 |
| Redundancy | 6.8 | 6.5 |
| CC(1/2) | 0.993 | 0.656 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.1 M sodium formate, 12% PEG3350, 1 mM ATP, 2 mM shikimate-3-phosphate |
